4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one

C5H7NO3 — CID 55299655

IUPAC4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one
SMILESCOC1=C(O)C(=O)NC1
InChIInChI=1S/C5H7NO3/c1-9-3-2-6-5(8)4(3)7/h7H,2H2,1H3,(H,6,8)
InChIKeyMCEKWFXNQBXVCU-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.47
Rot. Bonds1

About 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one

4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one (PubChem CID 55299655) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one
PubChem CID55299655
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one
SMILESCOC1=C(O)C(=O)NC1
InChIInChI=1S/C5H7NO3/c1-9-3-2-6-5(8)4(3)7/h7H,2H2,1H3,(H,6,8)
InChIKeyMCEKWFXNQBXVCU-UHFFFAOYSA-N
XLogP-0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one (CID 55299655) is 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one is COC1=C(O)C(=O)NC1.
What is the InChIKey of 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one?
The InChIKey is MCEKWFXNQBXVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-9-3-2-6-5(8)4(3)7/h7H,2H2,1H3,(H,6,8).
What are the key properties of 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one?
4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one has a molecular weight of 129.11 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 55299655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).